SCHEMBL12024945

SCHEMBL12024945

CCCc1ccc(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)OC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
FPR2 P25090 4/20 0.33
ALOX5 P09917 1/20 0.32
SLC6A2 P23975 6/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A3 Q01959 6/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12023607 1.00 CTSL (0.38) CTSLCTSSCTSKFPR2ALOX5
SCHEMBL12023626 0.97 FPR2 (0.34) CTSLCTSSCTSKFPR2ALOX5
SCHEMBL12023822 0.97 FPR2 (0.34) CTSLCTSSCTSKFPR2ALOX5
SCHEMBL12024203 0.93 CTSL (0.34) CTSLCTSSCTSKFPR2ALOX5
SCHEMBL12024913 0.93 CTSL (0.34) CTSLCTSSCTSKFPR2ALOX5
SCHEMBL12023590 0.91 CTSL (0.39) CTSLCTSSCTSKFPR2
SCHEMBL12023712 0.91 CTSL (0.39) CTSLCTSSCTSKFPR2
SCHEMBL12023608 0.90 CTSL (0.31) CTSLCTSSCTSKFPR2
SCHEMBL12024947 0.90 CTSL (0.31) CTSLCTSSCTSKFPR2
SCHEMBL12023620 0.90 CTSL (0.31) CTSLCTSSCTSKFPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
WO-2010095506-A1 TETRACYCLIC LIQUID-CRYSTALLINE COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-08-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CCT4, TEC, TCF4 CTSL 2047/4885CTSS 2365/4885CTSK 1741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.